NXL

(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide

Created:	2012-01-25
Last modified:	2024-09-27

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1 entries where NXL is found as a standalone ligand61 entries where NXL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	2
Bond Count	30
Aromatic Bond Count	0

2D diagram of NXL

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Chemical Component Summary
Name	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
Synonyms	avibactam, bound form; NXL104, bound form
Systematic Name (OpenEye OEToolkits)	[[(3R,6S)-6-aminocarbonyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
Formula	C₇ H₁₃ N₃ O₆ S
Molecular Weight	267.26
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O
SMILES	CACTVS	3.385	NC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N
InChI	InChI	1.03	InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1
InChIKey	InChI	1.03	WJDGWXPPFHLLNL-RITPCOANSA-N

Related Resource References

Resource Name	Reference
PubChem	132451794

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